# generated using pymatgen
data_Hf3TiBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25121811
_cell_length_b   6.98524037
_cell_length_c   11.84591511
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.79699941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3TiBr12
_chemical_formula_sum   'Hf3 Ti1 Br12'
_cell_volume   517.26357537
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Hf  Hf0  1  0.24135220  0.24971106  0.50000000  1.0
  Hf  Hf1  1  0.75913757  0.24960110  0.50000000  1.0
  Hf  Hf2  1  0.74855772  0.75049467  0.00000000  1.0
  Ti  Ti3  1  0.25095348  0.75044018  0.00000000  1.0
  Br  Br4  1  0.49968493  0.40180363  0.34385705  1.0
  Br  Br5  1  0.99499393  0.59722850  0.84445399  1.0
  Br  Br6  1  0.99499393  0.59722850  0.15554601  1.0
  Br  Br7  1  0.49968493  0.40180363  0.65614295  1.0
  Br  Br8  1  0.50417873  0.90413712  0.84421880  1.0
  Br  Br9  1  0.00106197  0.09415500  0.34084578  1.0
  Br  Br10  1  0.00106197  0.09415500  0.65915422  1.0
  Br  Br11  1  0.50417873  0.90413712  0.15578120  1.0
  Br  Br12  1  0.50151005  0.94312480  0.50000000  1.0
  Br  Br13  1  0.99723783  0.05364152  0.00000000  1.0
  Br  Br14  1  0.50254197  0.44652376  0.00000000  1.0
  Br  Br15  1  0.99887108  0.56181440  0.50000000  1.0